tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate

C13H24N2O2S — CID 62666468

IUPACtert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(N)=S)C1CCCCC1
InChIInChI=1S/C13H24N2O2S/c1-13(2,3)17-12(16)15-10(11(14)18)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyCZJHORSYWZWIAA-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.75
Rot. Bonds3

About tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate

tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate (PubChem CID 62666468) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
PubChem CID62666468
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Nametert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(N)=S)C1CCCCC1
InChIInChI=1S/C13H24N2O2S/c1-13(2,3)17-12(16)15-10(11(14)18)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyCZJHORSYWZWIAA-UHFFFAOYSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
chloromethyl 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 165440604
N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 66756723
tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate
CID 142933904
tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate
CID 175433446
tert-butyl N-[1-cyclobutyl-2-(2-methylhydrazinyl)-2-oxoethyl]carbamate
CID 116849479
tert-butyl N-[(1S)-2-[(3S)-3-carbamoyl-3,4-dihydropyrazol-2-yl]-1-cyclohexyl-2-oxoethyl]carbamate
CID 70967077
(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]azetidine-2-carboxylic acid
CID 175131953
phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 61124032
(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylic acid
CID 166747936

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate?
The IUPAC name of tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate (CID 62666468) is tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate?
The canonical SMILES for tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate is CC(C)(C)OC(=O)NC(C(N)=S)C1CCCCC1.
What is the InChIKey of tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate?
The InChIKey is CZJHORSYWZWIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-13(2,3)17-12(16)15-10(11(14)18)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H2,14,18)(H,15,16).
What are the key properties of tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate?
tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate has a molecular weight of 272.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate is sourced from PubChem (CID 62666468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).